相关论文: 1-Density Operators and Algebraic Version of The H…
Given the algebra of observables of a quantum system subject to selection rules, a state can be represented by different density matrices. As a result, different von Neumann entropies can be associated with the same state. Motivated by a…
A formalism for the study of highly interacting electronic systems is presented. The proposed scheme is based on two key concepts: composite operators and algebra constraints. Composite field operators, that naturally appear as a…
We use quantum harmonic analysis for densely defined operators to provide a simplified proof of the Berger-Coburn theorem for boundedness of Toeplitz operators. In addition, we revisit compactness and Schatten-class membership of densely…
The probability operator is derived from first principles for an equilibrium quantum system. It is also shown that the superposition states collapse into a mixture of states giving the conventional von Neumann trace form for the quantum…
Starting with an operator in the universal enveloping algebra of a semi-simple, complex Lie group the nearest neighbor statistics of the spectra of this operator along a sequence of representations are discussed. After a short introduction…
Functionals of the one-body reduced density matrix (1-RDM) are routinely minimized under Coleman's ensemble $N$-representability conditions. Recently, the topic of pure-state $N$-representability conditions, also known as generalized Pauli…
Hubertus J. J. van Dam [Phys. Rev. A 93, 052512, 2016] claims that the one-particle reduced density matrix (1RDM) of an interacting system can be represented by means of a single-determinant wavefunction of fictitious non-interacting…
Ando established an algebraic criterion for when a complex orientation for a Morava E-theory is an $H_\infty$-map. The criterion relates such an orientation to a specific property of the formal group associated to the E-theory, namely, a…
We develop the theory of integrable operators $\mathcal{K}$ acting on a domain of the complex plane with smooth boundary in analogy with the theory of integrable operators acting on contours of the complex plane. We show how the resolvent…
Koopmans-compliant functionals provide an orbital-density-dependent framework for an accurate evaluation of spectral properties; they are obtained by imposing a generalized piecewise-linearity condition on the total energy of the system…
We report benchmark results for one-dimensional (1D) atomic and molecular systems interacting via the Coulomb operator $|x|^{-1}$. Using various wavefunction-type approaches, such as Hartree-Fock theory, second- and third-order…
In this paper, we present a completely rigorous formulation of Kohn-Sham density functional theory for spinless fermions living in one dimensional space. More precisely, we consider Schr\"odinger operators of the form $H_N(v,w) = -\Delta +…
A double-atom partitioning of the molecular one-electron density matrix is used to describe atoms and bonds. All calculations are performed in Hilbert space. The concept of atomic weight functions (familiar from Hirshfeld analysis of the…
We present a general multi-component density functional theory in which electrons and nuclei are treated completely quantum mechanically, without the use of a Born-Oppenheimer approximation. The two fundamental quantities in terms of which…
Quantum dots with conduction electrons or holes originating from several bands are considered. We assume the particles are confined in a harmonic potential and assume the electrons (or holes) belonging to different bands to be different…
One approach to multivariate operator theory involves concepts and techniques from algebraic and complex geometry and is formulated in terms of Hilbert modules. In these notes we provide an introduction to this approach including many…
For three standard models of commutative algebras generated by Toeplitz operators in the weighted analytic Bergman space on the unit disk, we find their representations as the algebras of bounded functions of certain unbounded self-adjoint…
The study of mathematical connections between operator-theoretic formulations of classical dynamics and quantum mechanics began at least as early as the 1930s in work of Koopman and von Neumann and was developed in later decades by many…
Every unital nonselfadjoint operator algebra possesses canonical and functorial classes of faithful (even completely isometric) Hilbert space representations satisfying a double commutant theorem generalizing von Neumann's classical result.…
The expression for the density operator of the damped harmonic oscillator is derived from the master equation in the framework of the Lindblad theory for open quantum systems. Then the von Neumann entropy and effective temperature of the…